3-decyl-2-methyl-1,2-dihydroimidazole

C14H28N2 — CID 19047636

IUPAC3-decyl-2-methyl-1,2-dihydroimidazole
SMILESCCCCCCCCCCN1C=CNC1C
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13-15H,3-10,12H2,1-2H3
InChIKeyTZQCQEXEARDLTB-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.85
Rot. Bonds9

About 3-decyl-2-methyl-1,2-dihydroimidazole

3-decyl-2-methyl-1,2-dihydroimidazole (PubChem CID 19047636) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-decyl-2-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-decyl-2-methyl-1,2-dihydroimidazole
PubChem CID19047636
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-decyl-2-methyl-1,2-dihydroimidazole
SMILESCCCCCCCCCCN1C=CNC1C
InChIInChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13-15H,3-10,12H2,1-2H3
InChIKeyTZQCQEXEARDLTB-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-decyl-2-methyl-1,2-dihydroimidazole?
The IUPAC name of 3-decyl-2-methyl-1,2-dihydroimidazole (CID 19047636) is 3-decyl-2-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-decyl-2-methyl-1,2-dihydroimidazole?
The canonical SMILES for 3-decyl-2-methyl-1,2-dihydroimidazole is CCCCCCCCCCN1C=CNC1C.
What is the InChIKey of 3-decyl-2-methyl-1,2-dihydroimidazole?
The InChIKey is TZQCQEXEARDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-4-5-6-7-8-9-10-12-16-13-11-15-14(16)2/h11,13-15H,3-10,12H2,1-2H3.
What are the key properties of 3-decyl-2-methyl-1,2-dihydroimidazole?
3-decyl-2-methyl-1,2-dihydroimidazole has a molecular weight of 224.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-2-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 19047636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).